ChemSpider 2D Image | Methyl 2-bromo-3-oxopropanoate | C4H5BrO3

Methyl 2-bromo-3-oxopropanoate

  • Molecular FormulaC4H5BrO3
  • Average mass180.985 Da
  • Monoisotopic mass179.942200 Da
  • ChemSpider ID60607660

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

20656-62-6 [RN]
2-Bromo-3-oxopropanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-bromo-3-oxopropanoate [ACD/IUPAC Name]
Methyl-2-brom-3-oxopropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-bromo-3-oxo-, methyl ester [ACD/Index Name]
MFCD20637512

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 175.6±25.0 °C at 760 mmHg
Vapour Pressure: 1.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.2±3.0 kJ/mol
Flash Point: 60.0±23.2 °C
Index of Refraction: 1.467
Molar Refractivity: 30.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.36
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 43 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 108.9±3.0 cm3

Click to predict properties on the Chemicalize site


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